N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide

C14H13ClN6O — CID 19474663

IUPACN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ncn(Cc3ccccc3Cl)n2)cn1
InChIInChI=1S/C14H13ClN6O/c1-20-7-11(6-17-20)13(22)18-14-16-9-21(19-14)8-10-4-2-3-5-12(10)15/h2-7,9H,8H2,1H3,(H,18,19,22)
InChIKeyBDCWJASGHZXHOV-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.97
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 19474663) has the molecular formula C14H13ClN6O and a molecular weight of 316.75 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID19474663
Molecular FormulaC14H13ClN6O
Molecular Weight316.75 g/mol
Exact Mass316.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ncn(Cc3ccccc3Cl)n2)cn1
InChIInChI=1S/C14H13ClN6O/c1-20-7-11(6-17-20)13(22)18-14-16-9-21(19-14)8-10-4-2-3-5-12(10)15/h2-7,9H,8H2,1H3,(H,18,19,22)
InChIKeyBDCWJASGHZXHOV-UHFFFAOYSA-N
XLogP1.97
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475945
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
CID 4863029
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19561835
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513087
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266579
3-[4-[[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471311
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268631
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460890
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479673
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide (CID 19474663) is N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ncn(Cc3ccccc3Cl)n2)cn1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BDCWJASGHZXHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O/c1-20-7-11(6-17-20)13(22)18-14-16-9-21(19-14)8-10-4-2-3-5-12(10)15/h2-7,9H,8H2,1H3,(H,18,19,22).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).